1-[2-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol hydrochloride

Systemtic Name: 1-[2-[6-azanyl-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol hydrochloride CAS Name: 1-[2-[6-amino-9-ethyl-8-(3-fluorophenyl)-2-purinyl]ethynyl]-1-cyclohexanol hydrochloride IUPAC Name: 1-[2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-9-ethyl-8-(3-fluorophenyl)purin-2-yl]ethynyl]cyclohexanol hydrochloride Formula: C21H23ClFN5O MolecularWeight: 415.891623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

Isomeric SMILES

CCN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC(=CC=C4)F.Cl

InChI

InChI=1S/C21H22FN5O.ClH/c1-2-27-19(14-7-6-8-15(22)13-14)26-17-18(23)24-16(25-20(17)27)9-12-21(28)10-4-3-5-11-21;/h6-8,13,28H,2-5,10-11H2,1H3,(H2,23,24,25);1H